methyl 4-methyl-3-(trifluoromethylsulfonyloxy)benzoate

Systemtic Name: methyl 4-methyl-3-(trifluoromethylsulfonyloxy)benzoate Openeye Name: methyl 4-methyl-3-(trifluoromethylsulfonyloxy)benzoate CAS Name: 4-methyl-3-(trifluoromethylsulfonyloxy)benzoic acid methyl ester IUPAC Name: methyl 4-methyl-3-(trifluoromethylsulfonyloxy)benzoate Traditional Name: 4-methyl-3-triflyloxy-benzoic acid methyl ester Formula: C10H9F3O5S MolecularWeight: 298.23567

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)OS(=O)(=O)C(F)(F)F

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)OS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C10H9F3O5S/c1-6-3-4-7(9(14)17-2)5-8(6)18-19(15,16)10(11,12)13/h3-5H,1-2H3